SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3i6u'

List of Similar Pattern of Amino Acids

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 Interface HETATM RMSD Dali
Z-score		 Seq.
Identity (%)		 View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1AQB_A_RTLA185_0
(RETINOL-BINDING
PROTEIN)		 3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2
(Homo
sapiens) 		5 / 10 LEU A 460
VAL A 463
TYR A 424
LEU A 421
PHE A 427
 None
 1.39A 1aqbA-3i6uA:
undetectable		 1aqbA-3i6uA:
16.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1AV2_B_DVAB8_0
(GRAMICIDIN A)		 3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2
(Homo
sapiens) 		3 / 3 VAL A 415
VAL A 463
TRP A 411
 None
 0.98A 1av2A-3i6uA:
undetectable
1av2B-3i6uA:
undetectable		 1av2A-3i6uA:
3.30
1av2B-3i6uA:
3.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2
(Homo
sapiens) 		7 / 12 ALA A 247
LEU A 303
MET A 304
GLY A 307
LEU A 354
THR A 367
ASP A 368
 None
 0.75A 1m17A-3i6uA:
17.1		 1m17A-3i6uA:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2
(Homo
sapiens) 		7 / 12 LEU A 226
ALA A 247
LEU A 303
MET A 304
LEU A 354
THR A 367
ASP A 368
 None
 0.71A 1m17A-3i6uA:
17.1		 1m17A-3i6uA:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OPJ_B_STIB4_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2
(Homo
sapiens) 		4 / 6 LEU A 226
ILE A 299
MET A 304
ARG A 346
 None
 1.05A 1opjB-3i6uA:
20.9		 1opjB-3i6uA:
25.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1W5U_B_DVAB8_0
(GRAMICIDIN D)		 3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2
(Homo
sapiens) 		3 / 3 VAL A 415
VAL A 463
TRP A 411
 None
 0.93A 1w5uA-3i6uA:
undetectable
1w5uB-3i6uA:
undetectable		 1w5uA-3i6uA:
3.30
1w5uB-3i6uA:
3.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XKK_A_FMMA91_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2
(Homo
sapiens) 		7 / 12 ALA A 247
GLY A 307
ASP A 311
LEU A 354
THR A 367
ASP A 368
PHE A 369
 None
 0.78A 1xkkA-3i6uA:
22.5		 1xkkA-3i6uA:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YI4_A_ADNA306_1
(PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE PIM-1)		 3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2
(Homo
sapiens) 		5 / 10 LEU A 226
ALA A 247
ILE A 286
LEU A 301
LEU A 354
 None
 0.65A 1yi4A-3i6uA:
25.8		 1yi4A-3i6uA:
24.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BR4_F_SAMF301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2
(Homo
sapiens) 		5 / 12 LEU A 301
GLU A 273
GLY A 370
ASP A 347
ALA A 230
 None
 1.13A 2br4F-3i6uA:
undetectable		 2br4F-3i6uA:
19.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IZQ_C_DVAC8_0
(GRAMICIDIN D)		 3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2
(Homo
sapiens) 		3 / 3 VAL A 463
TRP A 411
VAL A 415
 None
 0.87A 2izqC-3i6uA:
undetectable
2izqD-3i6uA:
undetectable		 2izqC-3i6uA:
3.30
2izqD-3i6uA:
3.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JFA_B_CCSB417_0
(ESTROGEN RECEPTOR)		 3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2
(Homo
sapiens) 		3 / 3 GLN A 330
LYS A 365
VAL A 353
 None
 0.52A 2jfaB-3i6uA:
undetectable		 2jfaB-3i6uA:
19.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XP2_A_VGHA9000_1
(TYROSINE-PROTEIN
KINASE RECEPTOR)		 3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2
(Homo
sapiens) 		6 / 9 LEU A 226
ALA A 247
LEU A 301
MET A 304
GLY A 307
LEU A 354
 None
 0.72A 2xp2A-3i6uA:
6.6		 2xp2A-3i6uA:
23.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XP2_A_VGHA9000_1
(TYROSINE-PROTEIN
KINASE RECEPTOR)		 3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2
(Homo
sapiens) 		6 / 9 LEU A 226
VAL A 234
ALA A 247
LEU A 301
MET A 304
LEU A 354
 None
 0.63A 2xp2A-3i6uA:
6.6		 2xp2A-3i6uA:
23.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2Y7J_A_B49A1294_1
(PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM)		 3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2
(Homo
sapiens) 		7 / 12 ALA A 247
ILE A 286
LEU A 303
MET A 304
GLY A 307
LEU A 354
ASP A 368
 None
 0.75A 2y7jA-3i6uA:
28.0		 2y7jA-3i6uA:
30.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2Y7J_A_B49A1294_1
(PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM)		 3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2
(Homo
sapiens) 		7 / 12 ALA A 247
ILE A 286
MET A 304
GLY A 307
GLU A 308
LEU A 354
ASP A 368
 None
 0.74A 2y7jA-3i6uA:
28.0		 2y7jA-3i6uA:
30.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2Y7J_A_B49A1294_1
(PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM)		 3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2
(Homo
sapiens) 		7 / 12 VAL A 234
ALA A 247
ILE A 286
LEU A 303
MET A 304
LEU A 354
ASP A 368
 None
 0.82A 2y7jA-3i6uA:
28.0		 2y7jA-3i6uA:
30.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2Y7J_A_B49A1294_1
(PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM)		 3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2
(Homo
sapiens) 		7 / 12 VAL A 234
ALA A 247
ILE A 286
MET A 304
GLU A 308
LEU A 354
ASP A 368
 None
 0.85A 2y7jA-3i6uA:
28.0		 2y7jA-3i6uA:
30.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2Y7J_B_B49B1294_1
(PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM)		 3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2
(Homo
sapiens) 		7 / 10 ALA A 247
ILE A 286
LEU A 303
MET A 304
GLY A 307
LEU A 354
ASP A 368
 None
 0.80A 2y7jB-3i6uA:
28.0		 2y7jB-3i6uA:
30.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2Y7J_B_B49B1294_1
(PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM)		 3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2
(Homo
sapiens) 		7 / 10 VAL A 234
ALA A 247
ILE A 286
LEU A 303
MET A 304
LEU A 354
ASP A 368
 None
 0.84A 2y7jB-3i6uA:
28.0		 2y7jB-3i6uA:
30.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2Y7J_C_B49C1294_1
(PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM)		 3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2
(Homo
sapiens) 		7 / 10 ALA A 247
ILE A 286
LEU A 303
MET A 304
GLY A 307
ASP A 311
LEU A 354
 None
 0.73A 2y7jC-3i6uA:
27.9		 2y7jC-3i6uA:
30.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2Y7J_C_B49C1294_1
(PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM)		 3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2
(Homo
sapiens) 		6 / 10 VAL A 234
ALA A 247
ILE A 286
LEU A 303
MET A 304
LEU A 354
 None
 0.88A 2y7jC-3i6uA:
27.9		 2y7jC-3i6uA:
30.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2Y7J_D_B49D1294_1
(PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM)		 3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2
(Homo
sapiens) 		7 / 10 ALA A 247
ILE A 286
LEU A 303
MET A 304
GLY A 307
ASP A 311
LEU A 354
 None
 0.79A 2y7jD-3i6uA:
27.9		 2y7jD-3i6uA:
30.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2Y7J_D_B49D1294_1
(PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM)		 3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2
(Homo
sapiens) 		6 / 10 VAL A 234
ALA A 247
ILE A 286
LEU A 303
MET A 304
LEU A 354
 None
 0.85A 2y7jD-3i6uA:
27.9		 2y7jD-3i6uA:
30.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AOX_A_EMHA901_1
(ALK TYROSINE KINASE
RECEPTOR)		 3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2
(Homo
sapiens) 		7 / 10 LEU A 226
ALA A 247
LEU A 301
LEU A 303
MET A 304
GLY A 307
LEU A 354
 None
 0.85A 3aoxA-3i6uA:
21.3		 3aoxA-3i6uA:
23.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BBT_B_FMMB91_1
(RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-4)		 3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2
(Homo
sapiens) 		8 / 12 VAL A 234
ALA A 247
LEU A 303
GLY A 307
LEU A 354
THR A 367
ASP A 368
PHE A 369
 None
 0.72A 3bbtB-3i6uA:
22.6		 3bbtB-3i6uA:
22.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BBT_D_FMMD91_1
(RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-4)		 3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2
(Homo
sapiens) 		7 / 12 VAL A 234
ALA A 247
GLY A 307
LEU A 354
THR A 367
ASP A 368
PHE A 369
 None
 0.72A 3bbtD-3i6uA:
22.8		 3bbtD-3i6uA:
22.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BJM_B_BJMB2_1
(DIPEPTIDYL PEPTIDASE
4)		 3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2
(Homo
sapiens) 		5 / 12 GLU A 219
VAL A 246
TYR A 220
ASN A 290
VAL A 300
 None
 1.24A 3bjmB-3i6uA:
3.2		 3bjmB-3i6uA:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FRQ_A_ERYA195_0
(REPRESSOR PROTEIN
MPHR(A))		 3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2
(Homo
sapiens) 		5 / 12 THR A 133
VAL A 198
LEU A  96
SER A 140
ILE A 146
 None
 1.39A 3frqA-3i6uA:
undetectable		 3frqA-3i6uA:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G0B_A_T22A800_1
(DIPEPTIDYL PEPTIDASE
4)		 3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2
(Homo
sapiens) 		5 / 12 GLU A 219
VAL A 246
TYR A 220
ASN A 290
VAL A 300
 None
 1.24A 3g0bA-3i6uA:
undetectable		 3g0bA-3i6uA:
21.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G0B_B_T22B800_1
(DIPEPTIDYL PEPTIDASE
4)		 3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2
(Homo
sapiens) 		5 / 12 GLU A 219
VAL A 246
TYR A 220
ASN A 290
VAL A 300
 None
 1.26A 3g0bB-3i6uA:
3.6		 3g0bB-3i6uA:
21.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G0B_C_T22C800_1
(DIPEPTIDYL PEPTIDASE
4)		 3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2
(Homo
sapiens) 		5 / 12 GLU A 219
VAL A 246
TYR A 220
ASN A 290
VAL A 300
 None
 1.24A 3g0bC-3i6uA:
2.6		 3g0bC-3i6uA:
21.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OXZ_A_0LIA1_2
(TYROSINE-PROTEIN
KINASE ABL1)		 3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2
(Homo
sapiens) 		5 / 9 LEU A 226
ILE A 299
MET A 304
ARG A 346
LEU A 354
 None
 0.93A 3oxzA-3i6uA:
20.8		 3oxzA-3i6uA:
25.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3T3Q_A_9PLA501_1
(CYTOCHROME P450 2A6)		 3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2
(Homo
sapiens) 		5 / 10 PHE A 199
ASN A 105
PHE A 103
ALA A 104
PHE A 115
 None
 1.50A 3t3qA-3i6uA:
undetectable		 3t3qA-3i6uA:
22.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3T3Q_B_9PLB501_1
(CYTOCHROME P450 2A6)		 3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2
(Homo
sapiens) 		5 / 10 PHE A 199
ASN A 105
PHE A 103
ALA A 104
PHE A 115
 None
 1.49A 3t3qB-3i6uA:
undetectable		 3t3qB-3i6uA:
22.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3T3Q_D_9PLD501_1
(CYTOCHROME P450 2A6)		 3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2
(Homo
sapiens) 		5 / 10 PHE A 199
ASN A 105
PHE A 103
ALA A 104
PHE A 115
 None
 1.48A 3t3qD-3i6uA:
undetectable		 3t3qD-3i6uA:
22.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UG2_A_IREA1_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2
(Homo
sapiens) 		7 / 12 LEU A 226
VAL A 234
ALA A 247
LEU A 303
MET A 304
GLY A 307
LEU A 354
 None
 0.71A 3ug2A-3i6uA:
19.9		 3ug2A-3i6uA:
22.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3W2T_A_LF7A801_1
(DIPEPTIDYL PEPTIDASE
4)		 3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2
(Homo
sapiens) 		5 / 12 GLU A 219
VAL A 246
TYR A 220
ASN A 290
VAL A 300
 None
 1.24A 3w2tA-3i6uA:
3.1		 3w2tA-3i6uA:
21.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3W2T_B_LF7B801_1
(DIPEPTIDYL PEPTIDASE
4)		 3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2
(Homo
sapiens) 		5 / 12 GLU A 219
VAL A 246
TYR A 220
ASN A 290
VAL A 300
 None
 1.22A 3w2tB-3i6uA:
3.3		 3w2tB-3i6uA:
21.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3W67_D_VIVD301_0
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)		 3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2
(Homo
sapiens) 		5 / 12 VAL A 451
SER A 422
LEU A 421
VAL A 463
LEU A 467
 None
 1.11A 3w67D-3i6uA:
undetectable		 3w67D-3i6uA:
19.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ANQ_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)		 3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2
(Homo
sapiens) 		7 / 9 LEU A 226
VAL A 234
ALA A 247
LEU A 301
MET A 304
GLY A 307
LEU A 354
 None
 0.81A 4anqA-3i6uA:
21.4		 4anqA-3i6uA:
24.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C8B_A_0LIA1000_2
(RECEPTOR-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 2)		 3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2
(Homo
sapiens) 		4 / 5 VAL A 234
ILE A 285
MET A 304
ILE A 366
 None
 0.46A 4c8bA-3i6uA:
23.2		 4c8bA-3i6uA:
22.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FFW_A_715A801_1
(DIPEPTIDYL PEPTIDASE
4)		 3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2
(Homo
sapiens) 		5 / 12 GLU A 219
VAL A 246
TYR A 220
ASN A 290
VAL A 300
 None
 1.17A 4ffwA-3i6uA:
3.4		 4ffwA-3i6uA:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2
(Homo
sapiens) 		7 / 12 LEU A 226
VAL A 234
ALA A 247
MET A 304
LEU A 354
THR A 367
ASP A 368
 None
 0.80A 4hjoA-3i6uA:
22.8		 4hjoA-3i6uA:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MKC_A_4MKA1503_1
(ALK TYROSINE KINASE
RECEPTOR)		 3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2
(Homo
sapiens) 		8 / 12 LEU A 226
GLY A 229
VAL A 234
ALA A 247
LEU A 301
GLY A 307
LEU A 354
ASP A 368
 None
 0.96A 4mkcA-3i6uA:
22.0		 4mkcA-3i6uA:
23.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MKC_A_4MKA1503_1
(ALK TYROSINE KINASE
RECEPTOR)		 3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2
(Homo
sapiens) 		8 / 12 LEU A 226
GLY A 229
VAL A 234
ALA A 247
LEU A 301
LEU A 303
GLY A 307
LEU A 354
 None
 0.84A 4mkcA-3i6uA:
22.0		 4mkcA-3i6uA:
23.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OTY_B_LURB705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2
(Homo
sapiens) 		5 / 12 LEU A 421
SER A 422
TYR A 424
TRP A 485
LEU A 467
 None
 1.09A 4otyB-3i6uA:
undetectable		 4otyB-3i6uA:
21.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TYJ_A_0LIA801_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)		 3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2
(Homo
sapiens) 		5 / 6 LEU A 226
VAL A 234
ILE A 285
ARG A 346
ILE A 366
 None
 1.05A 4tyjA-3i6uA:
21.1		 4tyjA-3i6uA:
24.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4V01_A_0LIA1776_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2
(Homo
sapiens) 		6 / 9 LEU A 226
VAL A 234
ILE A 286
ARG A 346
LEU A 354
ILE A 366
 None
 1.26A 4v01A-3i6uA:
20.6		 4v01A-3i6uA:
23.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4V01_B_0LIB1770_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2
(Homo
sapiens) 		6 / 9 LEU A 226
VAL A 234
ILE A 286
ARG A 346
LEU A 354
ILE A 366
 None
 1.06A 4v01B-3i6uA:
21.0		 4v01B-3i6uA:
23.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WBO_C_ANWC601_0
(RHODOPSIN KINASE)		 3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2
(Homo
sapiens) 		4 / 6 LEU A 226
ALA A 247
MET A 304
LEU A 354
 None
 0.60A 4wboC-3i6uA:
13.7		 4wboC-3i6uA:
24.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XOY_A_DX4A401_0
(MITOGEN-ACTIVATED
PROTEIN KINASE 1)		 3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2
(Homo
sapiens) 		4 / 6 ALA A 247
LEU A 303
MET A 304
LEU A 354
 None
 0.56A 4xoyA-3i6uA:
23.1		 4xoyA-3i6uA:
26.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XP3_A_DX4A401_0
(MITOGEN-ACTIVATED
PROTEIN KINASE 1)		 3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2
(Homo
sapiens) 		4 / 6 ALA A 247
LEU A 303
MET A 304
LEU A 354
 None
 0.69A 4xp3A-3i6uA:
23.4		 4xp3A-3i6uA:
26.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AAA_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)		 3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2
(Homo
sapiens) 		8 / 9 LEU A 226
VAL A 234
ALA A 247
LEU A 301
MET A 304
GLY A 307
LEU A 354
ASP A 368
 None
 0.97A 5aaaA-3i6uA:
21.8		 5aaaA-3i6uA:
23.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AAB_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)		 3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2
(Homo
sapiens) 		8 / 10 LEU A 226
VAL A 234
ALA A 247
LEU A 301
MET A 304
GLY A 307
LEU A 354
ASP A 368
 None
 0.93A 5aabA-3i6uA:
21.4		 5aabA-3i6uA:
22.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5H2U_B_1N1B501_1
(PROTEIN-TYROSINE
KINASE 6)		 3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2
(Homo
sapiens) 		6 / 12 LEU A 226
VAL A 234
ALA A 247
ILE A 299
LEU A 303
LEU A 354
 None
 0.85A 5h2uB-3i6uA:
23.7		 5h2uB-3i6uA:
23.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5H2U_B_1N1B501_1
(PROTEIN-TYROSINE
KINASE 6)		 3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2
(Homo
sapiens) 		6 / 12 LEU A 226
VAL A 234
ALA A 247
LEU A 303
LEU A 354
ASP A 368
 None
 0.84A 5h2uB-3i6uA:
23.7		 5h2uB-3i6uA:
23.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HQA_A_ACRA705_2
(ALPHA-GLUCOSIDASE)		 3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2
(Homo
sapiens) 		4 / 8 ASN A 171
TRP A  93
PHE A 202
THR A 168
 None
 1.45A 5hqaA-3i6uA:
undetectable		 5hqaA-3i6uA:
19.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I9Y_A_1N1A1001_2
(EPHRIN TYPE-A
RECEPTOR 2)		 3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2
(Homo
sapiens) 		3 / 3 ILE A 286
ILE A 299
MET A 304
 None
 0.48A 5i9yA-3i6uA:
21.3		 5i9yA-3i6uA:
23.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IKR_A_ID8A601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2
(Homo
sapiens) 		5 / 12 LEU A 421
SER A 422
TYR A 424
TRP A 485
LEU A 467
 None
 1.15A 5ikrA-3i6uA:
undetectable		 5ikrA-3i6uA:
22.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LW1_E_ADNE401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 8)		 3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2
(Homo
sapiens) 		5 / 10 GLY A 227
VAL A 234
ALA A 247
ILE A 286
LEU A 303
 None
 0.77A 5lw1E-3i6uA:
21.5		 5lw1E-3i6uA:
12.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LW1_E_ADNE401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 8)		 3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2
(Homo
sapiens) 		5 / 10 VAL A 234
ALA A 247
ILE A 286
LEU A 303
MET A 304
 None
 0.77A 5lw1E-3i6uA:
21.5		 5lw1E-3i6uA:
12.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LW1_H_ADNH401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 8)		 3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2
(Homo
sapiens) 		5 / 9 GLY A 227
VAL A 234
ALA A 247
LEU A 303
MET A 304
 None
 0.75A 5lw1H-3i6uA:
21.8		 5lw1H-3i6uA:
12.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MO4_A_NILA601_1
(TYROSINE-PROTEIN
KINASE ABL1)		 3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2
(Homo
sapiens) 		5 / 10 LEU A 226
VAL A 234
ILE A 299
MET A 304
GLY A 307
 None
 0.66A 5mo4A-3i6uA:
17.9		 5mo4A-3i6uA:
25.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YU9_A_1E8A1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2
(Homo
sapiens) 		7 / 12 LEU A 226
GLY A 227
VAL A 234
ALA A 247
LEU A 354
THR A 367
ASP A 368
 None
 0.72A 5yu9A-3i6uA:
21.9		 5yu9A-3i6uA:
10.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YU9_B_1E8B1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2
(Homo
sapiens) 		6 / 12 GLY A 227
VAL A 234
ALA A 247
LEU A 354
THR A 367
ASP A 368
 None
 0.76A 5yu9B-3i6uA:
22.2		 5yu9B-3i6uA:
10.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YU9_C_1E8C1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2
(Homo
sapiens) 		5 / 12 ALA A 247
GLY A 307
ASP A 311
THR A 367
ASP A 368
 None
 0.69A 5yu9C-3i6uA:
22.2		 5yu9C-3i6uA:
10.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YU9_D_1E8D1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2
(Homo
sapiens) 		6 / 12 ALA A 247
GLY A 307
ASP A 311
LEU A 354
THR A 367
ASP A 368
 None
 0.79A 5yu9D-3i6uA:
22.4		 5yu9D-3i6uA:
10.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B1E_B_LF7B801_1
(DIPEPTIDYL PEPTIDASE
4)		 3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2
(Homo
sapiens) 		5 / 12 GLU A 219
VAL A 246
TYR A 220
ASN A 290
VAL A 300
 None
 1.24A 6b1eB-3i6uA:
3.1		 6b1eB-3i6uA:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CCV_C_RFPC1205_1
(-)		 3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2
(Homo
sapiens) 		5 / 12 ASP A 368
HIS A 371
ARG A 249
ILE A 251
HIS A 345
 None
 1.39A 6ccvC-3i6uA:
0.0		 6ccvC-3i6uA:
17.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6N91_B_DCFB401_0
(ADENOSINE DEAMINASE)		 3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2
(Homo
sapiens) 		5 / 12 LEU A 413
LEU A 348
ILE A 285
ALA A 334
HIS A 339
 None
 1.27A 6n91B-3i6uA:
undetectable		 6n91B-3i6uA:
11.62